N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C16H21N5OS — CID 87985459

IUPACN-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CCc2ccc(/N=C/NN)cc2)cs1
InChIInChI=1S/C16H21N5OS/c1-11(2)15(22)21-16-20-14(9-23-16)8-5-12-3-6-13(7-4-12)18-10-19-17/h3-4,6-7,9-11H,5,8,17H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyYSEUPPPQVVEYTM-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.65
Rot. Bonds7

About N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 87985459) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID87985459
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CCc2ccc(/N=C/NN)cc2)cs1
InChIInChI=1S/C16H21N5OS/c1-11(2)15(22)21-16-20-14(9-23-16)8-5-12-3-6-13(7-4-12)18-10-19-17/h3-4,6-7,9-11H,5,8,17H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyYSEUPPPQVVEYTM-UHFFFAOYSA-N
XLogP2.65
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[4-[[amino(dimethylamino)methylidene]amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 71525142
N-[4-[2-[bis(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55775566
N-[4-[2-[4-[2-(aminohydrazinylidene)ethylamino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87985696
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]methanesulfonamide;hydrochloride
CID 87242893
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 44538377
N-[4-[2-[4-(2-hydrazinylideneethylamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87797084
(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
CID 120873882
2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 78903050
N-[4-[2-[4-[2-[amino(carbamoyl)amino]ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87182634
N-[4-[2-[4-(2,2,3,4,4-pentamethylpentan-3-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 173162018
N-[4-[[4-(diaminomethylideneamino)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71525102
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 87985459) is N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CCc2ccc(/N=C/NN)cc2)cs1.
What is the InChIKey of N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is YSEUPPPQVVEYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11(2)15(22)21-16-20-14(9-23-16)8-5-12-3-6-13(7-4-12)18-10-19-17/h3-4,6-7,9-11H,5,8,17H2,1-2H3,(H,18,19)(H,20,21,22).
What are the key properties of N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 331.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(hydrazinylmethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 87985459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).